# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 108.33 6.87 14.13 21.86 117.84 -146.10 -96.63 134.08 99.92 0.07 0.01 99.77 0.16 0.02 0.00 0.00 0.00 0.02 0.01 1 A C C 55.31 7.75 10.41 19.64 117.17 -110.59 -74.42 148.70 99.12 0.22 0.66 98.60 0.26 0.50 0.30 0.14 0.00 0.06 0.13 2 P C C 80.51 5.28 11.15 18.20 112.38 -103.74 -66.48 150.29 91.50 1.18 7.32 81.80 4.60 5.69 3.45 3.10 0.00 0.48 0.88 3 K C C 139.53 3.84 10.55 16.16 109.22 -107.03 -77.42 132.85 78.21 3.60 18.19 58.26 10.84 8.55 8.13 10.20 0.00 1.58 2.44 4 K C C 133.45 4.75 9.82 16.30 108.39 -123.67 -84.44 119.02 65.14 2.90 31.96 39.19 14.01 12.19 9.46 22.36 0.01 1.54 1.25 5 E C C 138.08 2.96 11.07 15.61 107.98 -133.00 -85.36 107.12 66.73 2.77 30.50 38.96 13.96 13.97 8.91 21.53 0.01 1.55 1.11 6 K C C 147.07 2.91 11.91 16.38 109.68 -108.95 -91.44 108.99 71.83 3.46 24.71 42.28 15.67 13.95 7.84 16.68 0.01 1.66 1.90 7 A C C 46.99 10.66 8.52 19.77 118.71 -111.49 -86.93 145.70 95.86 1.37 2.77 59.05 35.54 1.42 1.93 0.75 0.00 0.48 0.84 8 P C C 79.27 4.58 13.32 19.40 114.46 -103.12 -67.07 151.69 92.52 1.03 6.45 83.09 5.90 3.85 3.74 2.28 0.00 0.45 0.69 9 A C C 77.20 3.88 13.24 18.66 110.15 -98.76 -68.19 148.65 82.52 1.83 15.65 66.55 8.58 7.31 6.91 8.59 0.00 0.85 1.22 10 A C C 67.30 7.92 10.75 19.73 107.33 -100.27 -71.05 136.96 76.27 2.35 21.38 50.11 11.92 13.53 5.97 16.04 0.00 1.27 1.17 11 S C C 77.93 4.35 12.61 18.29 104.90 -109.02 -88.01 33.15 76.67 3.27 20.06 45.22 14.85 16.43 4.81 15.47 0.01 1.76 1.45 12 S C C 69.18 6.46 11.31 19.16 106.68 134.97 -90.55 64.97 81.48 4.23 14.29 46.81 22.25 12.42 3.76 10.51 0.01 2.17 2.09 13 K C C 121.19 4.79 12.31 18.90 117.77 114.82 -91.24 139.25 95.10 2.88 2.02 55.22 38.94 1.32 1.26 0.67 0.00 1.24 1.35 14 P C C 82.64 5.30 12.38 19.38 113.98 -104.14 -65.82 148.68 85.92 4.45 9.63 72.63 7.09 6.16 4.29 5.05 0.00 2.49 2.29 15 A C C 66.02 7.17 9.90 18.47 110.98 -107.70 -72.40 142.45 81.34 5.72 12.94 59.62 11.84 9.45 4.73 8.42 0.01 3.24 2.71 16 K C C 151.15 2.70 11.50 15.79 108.37 -124.44 -82.66 125.12 78.22 7.43 14.35 48.25 16.45 13.47 4.28 10.12 0.02 4.26 3.16 17 S C C 84.64 2.75 9.90 14.26 110.90 -125.06 -95.16 111.77 82.92 6.11 10.97 44.44 18.99 19.88 3.16 7.57 0.01 3.39 2.55 18 G C C 52.75 3.39 9.87 14.89 110.39 -96.71 -74.98 28.86 89.21 3.45 7.34 39.13 25.56 24.95 1.86 5.22 0.00 1.74 1.54 19 G C C 54.09 2.73 10.42 14.73 112.83 -103.34 79.84 156.92 88.85 2.57 8.58 37.94 29.71 21.75 2.76 5.31 0.00 1.18 1.34 20 G C C 49.93 3.25 10.46 15.24 114.57 0.98 73.87 -165.44 81.17 2.95 15.89 37.32 29.18 15.40 8.54 6.65 0.01 1.52 1.38 21 K C C 146.03 2.70 11.43 15.43 104.53 -48.65 -81.38 46.24 65.09 6.09 28.82 38.69 16.73 10.19 20.73 7.96 0.03 4.02 1.65 22 Q C C 110.86 5.16 11.15 17.75 106.45 61.65 -81.90 89.41 52.41 8.17 39.42 36.32 9.29 7.32 30.47 8.86 0.04 6.07 1.63 23 K H H 117.48 6.31 12.27 19.80 105.47 62.87 -82.04 45.56 43.41 8.67 47.92 31.04 7.14 6.34 38.05 9.11 0.04 6.95 1.34 24 E H H 104.37 6.40 13.34 20.93 102.11 63.73 -76.45 -17.07 39.41 10.72 49.86 28.48 5.86 6.10 39.66 9.38 0.05 9.08 1.39 25 K H H 108.24 7.28 14.67 22.83 102.98 57.93 -82.40 -2.42 38.30 12.35 49.35 26.89 5.74 6.80 38.70 9.78 0.06 10.16 1.87 26 V H H 61.97 11.50 12.62 24.56 105.34 58.42 -85.23 17.27 40.07 10.51 49.42 23.74 6.95 10.55 37.07 11.30 0.12 8.17 2.10 27 N C T 93.89 6.97 15.68 23.42 101.54 64.10 -82.11 9.72 55.81 4.96 39.23 15.00 9.97 30.30 27.81 11.73 0.18 3.76 1.25 28 N C T 88.28 8.29 15.53 24.40 101.48 52.02 -95.72 29.51 66.94 4.20 28.87 17.13 14.23 35.99 17.92 10.50 0.12 2.86 1.25 29 A C C 49.14 10.64 15.14 26.51 112.17 134.43 -92.96 126.64 65.21 18.15 16.63 37.47 17.89 10.07 9.93 6.94 0.17 12.24 5.29 30 V C C 63.54 12.72 15.74 28.66 114.65 -148.59 -92.58 123.02 59.93 27.30 12.77 39.95 11.39 7.79 7.75 5.59 0.13 19.60 7.80 31 L C C 78.13 10.50 18.82 29.46 106.11 -161.73 -90.57 17.77 70.49 21.43 8.09 42.32 21.45 6.91 4.92 3.51 0.06 16.05 4.78 32 F C C 42.08 19.34 11.69 29.93 121.32 63.85 -107.91 136.68 84.09 13.20 2.72 50.32 32.29 2.21 1.89 0.96 0.01 8.04 4.28 33 D C C 82.09 3.96 19.03 23.06 117.34 -122.39 -79.33 153.90 97.75 1.47 0.78 95.50 2.11 0.33 0.63 0.10 0.00 0.97 0.37 34 Q H H 118.58 5.69 13.37 20.95 92.30 -111.83 -59.14 -37.46 2.03 0.01 97.96 0.32 0.28 1.20 97.88 0.31 0.00 0.00 0.00 35 A H H 68.80 1.61 17.92 18.35 91.93 52.51 -64.68 -40.18 1.56 0.01 98.43 0.18 0.13 1.14 98.07 0.47 0.00 0.00 0.00 36 T H H 31.39 10.95 15.74 28.16 92.10 48.74 -66.41 -40.58 0.83 0.01 99.16 0.16 0.07 0.51 98.76 0.49 0.00 0.00 0.00 37 Y H H 28.75 19.21 14.14 33.16 91.54 51.92 -62.90 -43.02 0.31 0.00 99.68 0.06 0.03 0.16 99.62 0.13 0.00 0.00 0.00 38 D H H 76.40 4.23 20.86 25.34 91.29 51.23 -63.52 -40.72 0.49 0.00 99.51 0.07 0.03 0.29 99.50 0.10 0.00 0.00 0.00 39 K H H 107.88 3.17 21.89 24.59 91.51 50.28 -64.82 -40.79 0.79 0.00 99.21 0.07 0.04 0.59 99.13 0.17 0.00 0.00 0.00 40 L H H 10.23 20.45 16.12 36.77 92.02 49.82 -64.82 -42.01 0.84 0.00 99.16 0.08 0.06 0.60 98.84 0.41 0.00 0.00 0.00 41 L H H 44.23 16.42 17.19 33.19 91.84 52.32 -65.59 -35.84 2.47 0.01 97.52 0.18 0.14 2.06 95.85 1.75 0.01 0.00 0.00 42 T H H 94.13 1.97 21.53 22.35 93.30 50.48 -71.17 -31.97 11.73 0.02 88.25 0.31 0.42 11.35 86.06 1.82 0.02 0.01 0.01 43 E H H 89.27 7.68 18.89 27.07 95.22 47.51 -77.40 -29.20 22.12 0.09 77.79 0.91 2.11 19.32 75.96 1.53 0.07 0.03 0.07 44 V C C 11.69 21.82 11.36 32.59 102.38 47.09 -103.93 46.79 78.48 0.83 20.68 44.24 26.97 7.91 10.48 9.37 0.01 0.26 0.77 45 P C T 72.36 8.36 16.53 26.11 92.99 112.26 -64.58 -25.80 74.77 0.51 24.72 21.67 5.94 46.59 3.22 22.03 0.00 0.31 0.24 46 K C T 152.31 2.00 19.24 20.95 95.04 52.57 -85.44 -5.83 72.21 0.79 26.99 8.86 8.91 53.35 2.11 25.94 0.00 0.45 0.37 47 Y C C 58.35 17.48 11.62 28.40 118.70 92.73 -97.27 138.82 85.74 3.51 10.75 66.49 13.42 5.06 1.80 9.98 0.00 1.97 1.29 48 K C S 122.84 6.31 20.70 28.08 96.83 -164.67 -84.10 -22.02 92.93 4.52 2.56 19.52 65.53 8.27 0.25 2.23 0.01 3.51 0.66 49 Q E E 57.85 12.63 21.88 34.68 126.75 37.83 -129.07 138.40 27.90 68.91 3.19 14.39 11.01 5.24 0.89 2.23 0.12 61.02 5.10 50 I E E 10.51 23.96 19.72 43.57 113.98 -165.22 -115.22 116.75 27.19 72.31 0.50 22.76 3.97 0.32 0.36 0.25 0.01 58.77 13.57 51 T C C 24.46 13.38 26.82 40.72 129.57 143.01 -114.05 159.87 94.74 4.97 0.28 88.49 6.40 0.13 0.28 0.05 0.00 4.03 0.63 52 P H H 13.28 23.00 19.54 42.49 91.35 -111.98 -59.48 -36.44 2.45 0.01 97.54 0.13 0.22 2.03 97.11 0.51 0.00 0.00 0.00 53 S H H 44.90 9.38 24.23 34.00 91.73 56.05 -63.79 -40.54 1.26 0.01 98.73 0.08 0.08 1.05 98.20 0.59 0.00 0.00 0.00 54 V H H 30.41 10.54 23.31 34.91 91.85 49.07 -65.06 -42.37 0.69 0.02 99.28 0.09 0.07 0.49 98.59 0.73 0.01 0.02 0.00 55 L H H 3.94 23.74 17.98 41.99 92.00 49.38 -64.60 -42.90 0.83 0.05 99.12 0.13 0.13 0.55 98.91 0.24 0.01 0.02 0.01 56 S H H 13.41 15.96 16.59 33.35 91.72 51.44 -63.23 -42.80 1.42 0.07 98.51 0.20 0.21 0.98 98.30 0.24 0.02 0.03 0.02 57 E H H 125.36 2.52 20.74 23.09 92.19 48.38 -65.78 -40.86 1.58 0.02 98.40 0.12 0.11 1.28 98.04 0.43 0.01 0.01 0.00 58 R H H 116.58 8.00 18.13 26.77 92.70 46.29 -69.82 -37.37 4.33 0.01 95.66 0.10 0.23 4.00 95.16 0.48 0.02 0.00 0.01 59 L H H 37.39 15.68 14.18 30.22 96.63 33.93 -98.63 -1.72 21.01 0.05 78.94 0.64 1.84 18.35 78.35 0.75 0.03 0.01 0.04 60 R C T 182.35 1.65 20.45 21.83 92.92 -125.24 57.33 40.98 99.67 0.05 0.28 12.98 4.24 82.53 0.14 0.06 0.00 0.03 0.01 61 I C C 28.33 18.63 11.29 29.66 129.21 137.55 -118.76 150.79 97.25 2.66 0.09 84.72 12.12 0.22 0.06 0.03 0.00 0.87 1.99 62 N C C 94.16 3.33 23.16 25.91 115.68 -105.61 -75.70 147.77 99.18 0.72 0.11 98.84 0.45 0.06 0.06 0.01 0.00 0.20 0.36 63 G H H 24.07 17.39 14.83 31.17 93.94 -113.25 -60.06 -38.48 7.90 0.03 92.08 0.94 1.34 5.29 91.17 1.22 0.01 0.01 0.02 64 S H H 62.49 3.59 24.09 27.28 91.96 56.01 -64.76 -39.69 3.47 0.01 96.52 0.30 0.30 2.65 95.42 1.31 0.01 0.00 0.01 65 L H H 39.08 11.65 21.93 34.18 91.99 50.02 -65.23 -41.30 0.70 0.00 99.30 0.12 0.05 0.43 98.51 0.88 0.00 0.00 0.00 66 A H H 1.64 26.32 16.37 43.36 91.09 51.61 -63.34 -42.91 0.22 0.00 99.78 0.04 0.01 0.12 99.65 0.18 0.00 0.00 0.00 67 R H H 95.17 12.35 24.23 35.91 91.19 51.44 -62.42 -41.86 0.21 0.00 99.79 0.02 0.00 0.15 99.73 0.10 0.00 0.00 0.00 68 R H H 120.97 3.30 27.70 30.67 91.38 49.85 -64.16 -41.85 0.12 0.00 99.88 0.00 0.00 0.09 99.86 0.04 0.00 0.00 0.00 69 A H H 5.46 20.05 21.85 42.08 91.55 49.92 -64.08 -43.41 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 70 I H H 2.66 26.37 20.02 46.55 91.25 49.63 -63.98 -42.85 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 71 K H H 99.92 6.11 25.34 31.78 91.39 50.92 -62.86 -42.47 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 72 D H H 53.69 6.10 23.55 30.23 91.57 49.79 -64.26 -41.69 0.07 0.00 99.92 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 73 L H H 5.43 22.31 15.88 38.71 91.80 50.01 -63.99 -42.53 0.11 0.00 99.89 0.01 0.00 0.07 99.88 0.04 0.00 0.00 0.00 74 M H H 60.79 14.39 16.66 30.82 91.89 50.02 -63.53 -41.67 0.22 0.00 99.78 0.01 0.01 0.17 99.67 0.14 0.00 0.00 0.00 75 E H H 147.18 1.23 19.35 19.57 90.50 51.91 -64.27 -31.64 2.67 0.00 97.33 0.04 0.05 2.86 96.85 0.22 0.00 0.00 0.00 76 R C T 126.41 5.47 16.08 22.80 92.09 51.55 -85.82 -3.39 85.87 0.01 14.12 0.06 0.36 85.74 13.61 0.22 0.00 0.00 0.01 77 G C T 41.71 5.60 19.03 25.74 94.49 -112.94 80.11 14.32 99.90 0.00 0.10 0.08 0.50 99.37 0.03 0.01 0.00 0.00 0.00 78 L C S 22.79 17.37 16.87 35.03 94.86 121.27 -80.29 -25.27 99.62 0.37 0.01 8.67 90.57 0.49 0.00 0.00 0.00 0.23 0.03 79 I E E 3.72 25.54 14.06 40.60 133.26 27.66 -135.36 148.40 21.25 78.74 0.01 10.12 12.67 0.18 0.00 0.01 0.00 76.45 0.56 80 R E E 110.46 6.30 25.77 32.64 125.45 -155.74 -121.01 138.84 2.29 97.71 0.00 2.12 0.08 0.00 0.00 0.00 0.00 97.77 0.03 81 M E E 71.41 16.67 16.19 32.27 110.43 -115.42 -73.87 126.11 0.64 99.36 0.00 0.63 0.01 0.00 0.00 0.00 0.00 99.34 0.01 82 V E E 58.08 10.17 17.44 28.78 101.55 176.11 -96.89 -32.76 1.48 98.52 0.00 1.08 0.17 0.01 0.00 0.00 0.00 98.73 0.01 83 S E E 46.31 5.70 20.09 26.82 139.26 -6.28 -155.86 155.13 1.09 98.91 0.00 0.79 0.14 0.01 0.00 0.00 0.00 99.04 0.01 84 I E E 88.05 12.96 11.40 24.70 124.26 -157.51 -128.91 131.56 3.81 96.17 0.01 3.22 0.33 0.04 0.00 0.01 0.00 96.33 0.07 85 H E E 97.13 4.35 13.73 19.58 126.51 174.30 -124.55 154.32 35.21 64.71 0.08 31.10 2.60 0.27 0.01 0.07 0.00 65.50 0.44 86 S C T 96.84 1.25 13.35 14.53 96.17 -72.48 -52.58 -43.95 98.54 0.64 0.82 1.86 32.13 64.53 0.02 0.90 0.00 0.47 0.09 87 S C T 85.06 3.35 13.43 17.45 99.68 9.19 -104.30 -3.14 98.64 0.53 0.83 2.26 32.16 64.08 0.02 1.00 0.00 0.40 0.07 88 Q E E 63.40 10.79 13.74 25.73 130.17 61.56 -127.53 147.24 26.23 73.59 0.19 19.68 5.56 0.91 0.02 0.16 0.00 73.33 0.34 89 Q E E 48.53 13.71 17.50 31.99 122.95 -154.75 -116.44 135.09 2.96 97.04 0.00 2.84 0.07 0.00 0.00 0.00 0.00 97.03 0.04 90 I E E 21.90 15.33 21.49 37.85 119.85 -160.10 -113.64 129.34 0.46 99.54 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.59 0.01 91 F E E 17.61 20.48 20.48 40.95 124.39 -166.80 -114.01 140.65 0.33 99.67 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.01 92 T E E 24.19 14.53 23.37 38.17 134.08 -175.90 -133.38 153.55 2.09 97.90 0.01 2.00 0.07 0.01 0.00 0.00 0.00 97.83 0.09 93 R E E 73.89 14.55 20.23 34.44 115.79 -105.27 -75.28 143.04 19.52 80.34 0.14 17.86 1.33 0.17 0.05 0.08 0.00 79.61 0.90 94 A C C 29.93 16.38 14.69 30.94 111.29 -108.33 -71.34 142.69 89.08 8.68 2.24 67.89 13.98 6.58 0.39 2.04 0.00 8.38 0.75 95 T C C 79.80 6.33 15.81 23.15 110.87 -148.86 -94.94 113.17 94.18 2.74 3.07 49.66 26.01 18.44 0.49 2.86 0.00 1.80 0.75 96 N C C 111.43 4.39 12.31 18.18 103.68 -71.99 -85.88 43.47 95.96 1.76 2.28 72.91 7.32 15.67 0.39 1.95 0.00 1.15 0.61 97 T C C 85.95 5.68 12.99 20.08 107.46 119.02 -97.03 58.16 99.86 0.12 0.02 99.64 0.20 0.07 0.01 0.00 0.00 0.06 0.02